(Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine

C20H29N3S — CID 155379756

IUPAC(Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine
SMILESC=C(S/C=C\C)C1=NCC(C(/C=C\CC)=N/C)=C2CC(CC)CN12
InChIInChI=1S/C20H29N3S/c1-6-9-10-18(21-5)17-13-22-20(15(4)24-11-7-2)23-14-16(8-3)12-19(17)23/h7,9-11,16H,4,6,8,12-14H2,1-3,5H3/b10-9-,11-7-,21-18+
InChIKeyXEZRBJDTJMLGMC-KZZQPTMOSA-N
MW343.54 g/mol
LogP5.20
Rot. Bonds7

About (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine

(Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine (PubChem CID 155379756) has the molecular formula C20H29N3S and a molecular weight of 343.54 g/mol. Its IUPAC name is (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine
PubChem CID155379756
Molecular FormulaC20H29N3S
Molecular Weight343.54 g/mol
Exact Mass343.21
IUPAC Name(Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine
SMILESC=C(S/C=C\C)C1=NCC(C(/C=C\CC)=N/C)=C2CC(CC)CN12
InChIInChI=1S/C20H29N3S/c1-6-9-10-18(21-5)17-13-22-20(15(4)24-11-7-2)23-14-16(8-3)12-19(17)23/h7,9-11,16H,4,6,8,12-14H2,1-3,5H3/b10-9-,11-7-,21-18+
InChIKeyXEZRBJDTJMLGMC-KZZQPTMOSA-N
XLogP5.20
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine?
The IUPAC name of (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine (CID 155379756) is (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine.
What is the SMILES notation for (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine?
The canonical SMILES for (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine is C=C(S/C=C\C)C1=NCC(C(/C=C\CC)=N/C)=C2CC(CC)CN12.
What is the InChIKey of (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine?
The InChIKey is XEZRBJDTJMLGMC-KZZQPTMOSA-N. The full InChI is InChI=1S/C20H29N3S/c1-6-9-10-18(21-5)17-13-22-20(15(4)24-11-7-2)23-14-16(8-3)12-19(17)23/h7,9-11,16H,4,6,8,12-14H2,1-3,5H3/b10-9-,11-7-,21-18+.
What are the key properties of (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine?
(Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine has a molecular weight of 343.54 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[6-ethyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-4-yl]-N-methylpent-2-en-1-imine is sourced from PubChem (CID 155379756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).